ethyl 2-[(4-aminophenyl)methoxycarbonylamino]-4,5-dimethoxybenzoate

C19H22N2O6 — CID 11014212

IUPACethyl 2-[(4-aminophenyl)methoxycarbonylamino]-4,5-dimethoxybenzoate
SMILESCCOC(=O)c1cc(OC)c(OC)cc1NC(=O)OCc1ccc(N)cc1
InChIInChI=1S/C19H22N2O6/c1-4-26-18(22)14-9-16(24-2)17(25-3)10-15(14)21-19(23)27-11-12-5-7-13(20)8-6-12/h5-10H,4,11,20H2,1-3H3,(H,21,23)
InChIKeySVJUUKKJFUHXQF-UHFFFAOYSA-N
MW374.39 g/mol
LogP3.21
Rot. Bonds7

About ethyl 2-[(4-aminophenyl)methoxycarbonylamino]-4,5-dimethoxybenzoate

ethyl 2-[(4-aminophenyl)methoxycarbonylamino]-4,5-dimethoxybenzoate (PubChem CID 11014212) has the molecular formula C19H22N2O6 and a molecular weight of 374.39 g/mol. Its IUPAC name is ethyl 2-[(4-aminophenyl)methoxycarbonylamino]-4,5-dimethoxybenzoate.

Molecular Properties

Compound Nameethyl 2-[(4-aminophenyl)methoxycarbonylamino]-4,5-dimethoxybenzoate
PubChem CID11014212
Molecular FormulaC19H22N2O6
Molecular Weight374.39 g/mol
Exact Mass374.15
IUPAC Nameethyl 2-[(4-aminophenyl)methoxycarbonylamino]-4,5-dimethoxybenzoate
SMILESCCOC(=O)c1cc(OC)c(OC)cc1NC(=O)OCc1ccc(N)cc1
InChIInChI=1S/C19H22N2O6/c1-4-26-18(22)14-9-16(24-2)17(25-3)10-15(14)21-19(23)27-11-12-5-7-13(20)8-6-12/h5-10H,4,11,20H2,1-3H3,(H,21,23)
InChIKeySVJUUKKJFUHXQF-UHFFFAOYSA-N
XLogP3.21
TPSA109.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-aminophenyl)methoxycarbonylamino]-4,5-dimethoxybenzoate?
The IUPAC name of ethyl 2-[(4-aminophenyl)methoxycarbonylamino]-4,5-dimethoxybenzoate (CID 11014212) is ethyl 2-[(4-aminophenyl)methoxycarbonylamino]-4,5-dimethoxybenzoate.
What is the SMILES notation for ethyl 2-[(4-aminophenyl)methoxycarbonylamino]-4,5-dimethoxybenzoate?
The canonical SMILES for ethyl 2-[(4-aminophenyl)methoxycarbonylamino]-4,5-dimethoxybenzoate is CCOC(=O)c1cc(OC)c(OC)cc1NC(=O)OCc1ccc(N)cc1.
What is the InChIKey of ethyl 2-[(4-aminophenyl)methoxycarbonylamino]-4,5-dimethoxybenzoate?
The InChIKey is SVJUUKKJFUHXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O6/c1-4-26-18(22)14-9-16(24-2)17(25-3)10-15(14)21-19(23)27-11-12-5-7-13(20)8-6-12/h5-10H,4,11,20H2,1-3H3,(H,21,23).
What are the key properties of ethyl 2-[(4-aminophenyl)methoxycarbonylamino]-4,5-dimethoxybenzoate?
ethyl 2-[(4-aminophenyl)methoxycarbonylamino]-4,5-dimethoxybenzoate has a molecular weight of 374.39 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-aminophenyl)methoxycarbonylamino]-4,5-dimethoxybenzoate is sourced from PubChem (CID 11014212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).